2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

C23H26Cl2N4O — CID 42810558

IUPAC2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cn2c(Cc3c(Cl)cccc3Cl)nc3ccccc32)CC1
InChIInChI=1S/C23H26Cl2N4O/c1-27-12-10-16(11-13-27)28(2)23(30)15-29-21-9-4-3-8-20(21)26-22(29)14-17-18(24)6-5-7-19(17)25/h3-9,16H,10-15H2,1-2H3
InChIKeyIXNZCUHOIZWGPO-UHFFFAOYSA-N
MW445.39 g/mol
LogP4.49
Rot. Bonds5

About 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 42810558) has the molecular formula C23H26Cl2N4O and a molecular weight of 445.39 g/mol. Its IUPAC name is 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID42810558
Molecular FormulaC23H26Cl2N4O
Molecular Weight445.39 g/mol
Exact Mass444.15
IUPAC Name2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cn2c(Cc3c(Cl)cccc3Cl)nc3ccccc32)CC1
InChIInChI=1S/C23H26Cl2N4O/c1-27-12-10-16(11-13-27)28(2)23(30)15-29-21-9-4-3-8-20(21)26-22(29)14-17-18(24)6-5-7-19(17)25/h3-9,16H,10-15H2,1-2H3
InChIKeyIXNZCUHOIZWGPO-UHFFFAOYSA-N
XLogP4.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 42810552
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate
CID 86717115
N-cyclohexyl-N-methyl-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 16999536
N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969915
N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999431
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441759
3-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 51066922
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119551273
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 110899546
N-[3-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylprop-2-enamide
CID 16986998

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (CID 42810558) is 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C)C(=O)Cn2c(Cc3c(Cl)cccc3Cl)nc3ccccc32)CC1.
What is the InChIKey of 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is IXNZCUHOIZWGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O/c1-27-12-10-16(11-13-27)28(2)23(30)15-29-21-9-4-3-8-20(21)26-22(29)14-17-18(24)6-5-7-19(17)25/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 445.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 42810558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).